(E)-2-cyano-3-methylsulfonyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-methylsulfonyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)prop-2-enoic acid Openeye Name: (E)-2-cyano-3-methylsulfonyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)prop-2-enoic acid CAS Name: (E)-2-cyano-3-methylsulfonyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-propenoic acid IUPAC Name: (E)-2-cyano-3-methylsulfonyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)prop-2-enoic acid Traditional Name: (E)-2-cyano-3-mesyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)acrylic acid Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(=C(C#N)C(=O)O)N1CCC2=CC=CC=C2CC1

Isomeric SMILES

CS(=O)(=O)/C(=C(\C#N)/C(=O)O)/N1CCC2=CC=CC=C2CC1

InChI

InChI=1S/C15H16N2O4S/c1-22(20,21)14(13(10-16)15(18)19)17-8-6-11-4-2-3-5-12(11)7-9-17/h2-5H,6-9H2,1H3,(H,18,19)/b14-13+